HMDB0240497 RDKit 3D Dihydroisoferulic acid 3-glucuronide 46 47 0 0 0 0 0 0 0 0999 V2000 0.1709 -4.0895 1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1544 -2.8046 1.0624 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 -1.8169 0.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 -2.1944 1.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1164 -1.2907 0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8133 -0.0146 0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8949 0.9582 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4382 0.9623 -1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 1.9869 -1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8558 2.6886 -0.2403 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2196 2.2284 -2.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 0.3464 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4373 -0.5480 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -0.1159 0.2034 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0666 -0.6435 0.2681 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6422 -0.6682 -1.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5563 0.3319 -1.2101 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8817 0.4802 -2.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 1.3379 -3.0561 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2701 -0.3517 -3.5571 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 1.6002 -0.6030 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6074 2.7380 -1.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 1.4753 0.9045 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4598 2.3664 1.6075 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9782 0.0531 1.2655 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1073 -0.7076 1.4965 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7756 -4.5744 0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -4.0047 2.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6995 -4.7140 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -3.2128 1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1379 -1.6269 1.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4886 1.9790 0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 0.7444 0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6381 1.2293 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8661 0.0095 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2311 2.3568 -2.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3152 1.3726 -0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0588 -1.7017 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5026 0.0703 -0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9027 -0.8622 -4.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9175 1.7152 -0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0773 3.5076 -0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3391 1.6805 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7967 3.2780 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4015 0.0643 2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0335 -1.6191 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 6 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 17 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 13 3 1 0 25 15 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 5 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 11 36 1 0 12 37 1 0 15 38 1 1 17 39 1 1 20 40 1 0 21 41 1 1 22 42 1 0 23 43 1 6 24 44 1 0 25 45 1 1 26 46 1 0 M END